4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid

C15H21N3O6S — CID 126441123

IUPAC4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1
InChIInChI=1S/C15H21N3O6S/c1-9(2)18-6-11(13(19)12(7-18)15(21)22)14(20)17-4-3-10(5-17)8-25(16,23)24/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,16,23,24)/t10-/m0/s1
InChIKeyNBLPZKFRGOHDOQ-JTQLQIEISA-N
MW371.42 g/mol
LogP-0.12
Rot. Bonds5

About 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid

4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid (PubChem CID 126441123) has the molecular formula C15H21N3O6S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
PubChem CID126441123
Molecular FormulaC15H21N3O6S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Name4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1
InChIInChI=1S/C15H21N3O6S/c1-9(2)18-6-11(13(19)12(7-18)15(21)22)14(20)17-4-3-10(5-17)8-25(16,23)24/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,16,23,24)/t10-/m0/s1
InChIKeyNBLPZKFRGOHDOQ-JTQLQIEISA-N
XLogP-0.12
TPSA139.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118767416
[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119075063
[(3S)-1-(2-chloro-4,5-difluorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 125173276
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
[1-(4-methylpyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 137340590
3-methoxy-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 126427180
[(3S)-1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125168841
[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126451013
[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 118760689
[(3R)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125174116
[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125174119
[1-(4-methyl-1,2,5-thiadiazole-3-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 138810944

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid (CID 126441123) is 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid is CC(C)n1cc(C(=O)O)c(=O)c(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)c1.
What is the InChIKey of 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
The InChIKey is NBLPZKFRGOHDOQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O6S/c1-9(2)18-6-11(13(19)12(7-18)15(21)22)14(20)17-4-3-10(5-17)8-25(16,23)24/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,16,23,24)/t10-/m0/s1.
What are the key properties of 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid?
4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid has a molecular weight of 371.42 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-propan-2-yl-5-[(3S)-3-(sulfamoylmethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 126441123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).